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49572-64-7 | 3-iodo-2-methyl-2H-indazole
CAS No: 49572-64-7 Catalog No: AG00E3L7 MDL No:MFCD12828021
Product Description
Catalog Number:
AG00E3L7
Chemical Name:
3-iodo-2-methyl-2H-indazole
CAS Number:
49572-64-7
Molecular Formula:
C8H7IN2
Molecular Weight:
258.0591
MDL Number:
MFCD12828021
IUPAC Name:
3-iodo-2-methylindazole
InChI:
InChI=1S/C8H7IN2/c1-11-8(9)6-4-2-3-5-7(6)10-11/h2-5H,1H3
InChI Key:
MPGNCHMFUCTNAW-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1I)cccc2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.062g/mol
Monoisotopic Mass:
257.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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